Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL1077862
Molecular formula	C10H16N6
IUPAC name	1-cyano-3-[4-(1H-imidazol-5-yl)butyl]-2-methylguanidine
Molecular weight	220.28
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	0.0
Synonyms	Guanidine, N-cyano-N'-[4-(1H-imidazol-4-yl)butyl]-N''-methyl- BDBM50415657 CTK1G2796 Guanidine, N-cyano-N'-[4-(1H-imidazol-5-yl)butyl]-N''-methyl- DTXSID90475147 52378-57-1 [ Show all ]
Inchi Key	SESBNJZEWNWYQM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H16N6/c1-12-10(15-7-11)14-5-3-2-4-9-6-13-8-16-9/h6,8H,2-5H2,1H3,(H,13,16)(H2,12,14,15)
PubChem CID	11983344
ChEMBL	CHEMBL1077862
IUPHAR	N/A
BindingDB	50415657
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
312425	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487
312427	Histamine H2 receptor	P25102	Hrh2	Rattus norvegicus (Rat)	358
312428	Histamine H2 receptor	P25021	HRH2	Homo sapiens (Human)	359
312429	Histamine H2 receptor	P47747	HRH2	Cavia porcellus (Guinea pig)	359
312424	Histamine H3 receptor	Q9Y5N1	HRH3	Homo sapiens (Human)	445
312426	Histamine H4 receptor	Q9H3N8	HRH4	Homo sapiens (Human)	390

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218